2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine

C18H21Cl2N — CID 106867810

IUPAC2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(C)cc1Cl)c1cc(C)cc(Cl)c1
InChIInChI=1S/C18H21Cl2N/c1-4-21-18(15-7-13(3)8-16(19)10-15)11-14-6-5-12(2)9-17(14)20/h5-10,18,21H,4,11H2,1-3H3
InChIKeyZKHNFBVVVDXYLX-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.50
Rot. Bonds5

About 2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine

2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine (PubChem CID 106867810) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
PubChem CID106867810
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(C)cc1Cl)c1cc(C)cc(Cl)c1
InChIInChI=1S/C18H21Cl2N/c1-4-21-18(15-7-13(3)8-16(19)10-15)11-14-6-5-12(2)9-17(14)20/h5-10,18,21H,4,11H2,1-3H3
InChIKeyZKHNFBVVVDXYLX-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105037683
1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 81315675
1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867838
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 106867253
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105032313
2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-ethylethanamine
CID 105055557
2-(2,4-dichlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412980
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867876
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115863164
2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503761
1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867000
2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857271

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine (CID 106867810) is 2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine is CCNC(Cc1ccc(C)cc1Cl)c1cc(C)cc(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine?
The InChIKey is ZKHNFBVVVDXYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-4-21-18(15-7-13(3)8-16(19)10-15)11-14-6-5-12(2)9-17(14)20/h5-10,18,21H,4,11H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine?
2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine has a molecular weight of 322.28 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 106867810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).